ChemSpider 2D Image | 1-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[3-hydroxy(~2~H_5_)-1-azetidinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C18H7D5ClF3N4O4

1-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[3-hydroxy(2H5)-1-azetidinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC18H7D5ClF3N4O4
  • Average mass445.791 Da
  • Monoisotopic mass445.081299 Da
  • ChemSpider ID115008775

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(6-Amino-3,5-difluor-2-pyridinyl)-8-chlor-6-fluor-7-[3-hydroxy(2H5)-1-azetidinyl]-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[3-hydroxy(2H5)-1-azetidinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl-2,2,3,4,4-d5)-4-oxo- [ACD/Index Name]
Acide 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[3-hydroxy(2H5)-1-azétidinyl]-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.2±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 31.18
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 90.5±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

Click to predict properties on the Chemicalize site


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